[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene

C18H26N2O3 — CID 144729713

IUPAC[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene
SMILESC/C=C\C(=C/CC)COC(=O)NCC(N)=O.Cc1ccccc1
InChIInChI=1S/C11H18N2O3.C7H8/c1-3-5-9(6-4-2)8-16-11(15)13-7-10(12)14;1-7-5-3-2-4-6-7/h3,5-6H,4,7-8H2,1-2H3,(H2,12,14)(H,13,15);2-6H,1H3/b5-3-,9-6+;
InChIKeyRIDOVMWAHOPCAW-XRVNEYCPSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds6

About [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene (PubChem CID 144729713) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene.

Molecular Properties

Compound Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene
PubChem CID144729713
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene
SMILESC/C=C\C(=C/CC)COC(=O)NCC(N)=O.Cc1ccccc1
InChIInChI=1S/C11H18N2O3.C7H8/c1-3-5-9(6-4-2)8-16-11(15)13-7-10(12)14;1-7-5-3-2-4-6-7/h3,5-6H,4,7-8H2,1-2H3,(H2,12,14)(H,13,15);2-6H,1H3/b5-3-,9-6+;
InChIKeyRIDOVMWAHOPCAW-XRVNEYCPSA-N
XLogP3.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene?
The IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene (CID 144729713) is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene.
What is the SMILES notation for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene?
The canonical SMILES for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene is C/C=C\C(=C/CC)COC(=O)NCC(N)=O.Cc1ccccc1.
What is the InChIKey of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene?
The InChIKey is RIDOVMWAHOPCAW-XRVNEYCPSA-N. The full InChI is InChI=1S/C11H18N2O3.C7H8/c1-3-5-9(6-4-2)8-16-11(15)13-7-10(12)14;1-7-5-3-2-4-6-7/h3,5-6H,4,7-8H2,1-2H3,(H2,12,14)(H,13,15);2-6H,1H3/b5-3-,9-6+;.
What are the key properties of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene?
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene has a molecular weight of 318.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene is sourced from PubChem (CID 144729713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).